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GPCR

Name5-hydroxytryptamine receptor 2A
SpeciesHomo sapiens (Human)
GeneHTR2A
Synonym5-HT-2
serotonin receptor 2A
serotonin 5HT-2 receptor
5-HT-2A
5-HT2A receptor
[ Show all ]
DiseaseDepression
Unspecified
Diabetes
Erythropoietic porphyria
Fibromyalgia
[ Show all ]
Length471
Amino acid sequenceMDILCEENTSLSSTTNSLMQLNDDTRLYSNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPSCLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVSFFIPLTIMVITYFLTIKSLQKEATLCVSDLGTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYTGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNEDVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYKSSQLQMGQKKNSKQDAKTTDNDCSMVALGKQHSEEASKDNSDGVNEKVSCV
UniProtP28223
Protein Data Bank6a93, 6a94
GPCR-HGmod modelP28223
3D structure modelThis structure is from PDB ID 6a93.
BioLiPBL0441025,BL0441028, BL0441031, BL0441030,BL0441033, BL0441029,BL0441032, BL0441026, BL0441024,BL0441027
Therapeutic Target DatabaseT32060
ChEMBLCHEMBL224
IUPHAR6
DrugBankBE0000451

Ligand

Nameserotonin
Molecular formulaC10H12N2O
IUPAC name3-(2-aminoethyl)-1H-indol-5-ol
Molecular weight176.219
Hydrogen bond acceptor2
Hydrogen bond donor3
XlogP0.2
Synonyms6996AB
NCGC00015525-02
Antemoqua
NCGC00142449-01
Bio1_001428
[ Show all ]
Inchi KeyQZAYGJVTTNCVMB-UHFFFAOYSA-N
Inchi IDInChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
PubChem CID5202
ChEMBLCHEMBL39
IUPHAR5
BindingDB10755
DrugBankDB08839

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
N/A N/ADrugBank
Activity<75.0 %NoneChEMBL
Activity100.0 %PMID27487565ChEMBL
Activity100.4 %PMID23675993ChEMBL
EC501.5 nMPMID23602445ChEMBL
EC501.549 nMPMID23602445ChEMBL
EC501.88 nMPMID25633969ChEMBL
EC501.9 nMPMID25633969BindingDB
EC502.57 nMPMID23301527ChEMBL
EC502.6 nMPMID23301527BindingDB,ChEMBL
EC505.8 nMPMID19284718BindingDB,ChEMBL
EC507.6 nMPMID22778800BindingDB,ChEMBL
EC5011.0 nMPMID16257207, PMID15081042BindingDB,ChEMBL
EC5016.0 nMPMID23675993ChEMBL
EC5018.62 nMNoneChEMBL
EC5047.0 nMPMID27487565BindingDB,ChEMBL
EC5070.0 nMPMID18035544BindingDB,ChEMBL
EC50125.89 nMPMID18095642ChEMBL
EC50147.91 nMPMID23301527ChEMBL
EC50150.0 nMPMID23301527BindingDB,ChEMBL
EC50302.0 nMPMID25583099BindingDB,ChEMBL
Efficacy98.0 %PMID16257207ChEMBL
Emax100.0 %PMID25633969, PMID18035544, PMID19284718ChEMBL
Kd1.25893 nMPMID8534270IUPHAR
Ki3.98107 - 1000.0 nMPMID15322733, PMID8534270, PMID12954071, PMID2233697, PMID8114677, PMID8663249IUPHAR
Ki7.77 nMPMID8632342PDSP,BindingDB
Ki8.2 nMPMID12954071BindingDB
Ki8.2 nMPMID16392816, PMID12954071PDSP,BindingDB,ChEMBL
Ki12.02 nMPMID7984267PDSP,BindingDB
Ki14.0 nMPMID10611640, PMID16257207, PMID15081042PDSP,BindingDB,ChEMBL
Ki16.2181 nMPMID15322733PDSP
Ki16.22 nMPMID15322733BindingDB
Ki21.0 nMPMID14709324PDSP,BindingDB
Ki30.9 nMPMID10498829BindingDB
Ki30.903 nMPMID10498829PDSP
Ki63.09 nMPMID7582481PDSP,BindingDB
Ki120.0 nMPMID18468904BindingDB,ChEMBL
Ki130.0 nMPMID18468904BindingDB,ChEMBL
Ki150.0 nMPMID18468904BindingDB,ChEMBL
Ki160.0 nMPMID18468904BindingDB,ChEMBL
Ki174.0 nMHoyer et al., PMID1987PDSP
Ki199.52 nMPMID7582481PDSP
Ki218.77 nMPMID9225287PDSP,BindingDB
Ki320.0 nMPMID23301527, PMID11975483BindingDB,ChEMBL
Ki323.59 nMPMID23301527ChEMBL
Ki341.0 nMPMID10611640PDSP,BindingDB
Ki398.11 nMPMID14613313ChEMBL
Ki510.0 nMPMID8071931BindingDB,ChEMBL
Ki602.55 nMPMID7984267PDSP,BindingDB
Ki690.0 nMPMID17067154BindingDB,ChEMBL
Ki3170.75 nMAndorn et al., PMID1984PDSP
Ki4396.0 nMElliot & Kent, PMID1989PDSP
Relative efficacy98.0 %PMID15081042ChEMBL

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